K784-5783 Screening compound: 2-({cyclohexyl[(4-methylphenyl)methyl]carbamothioyl}amino)-N-[(3-methoxyphenyl)methyl]acetamide

K784-5783 Screening compound: 2-({cyclohexyl[(4-methylphenyl)methyl]carbamothioyl}amino)-N-[(3-methoxyphenyl)methyl]acetamide
K784-5783 Screening compound: 2-({cyclohexyl[(4-methylphenyl)methyl]carbamothioyl}amino)-N-[(3-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5783
2-({cyclohexyl[(4-methylphenyl)methyl]carbamothioyl}amino)-N-[(3-methoxyphenyl)methyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-5783

Molecular Formula

C25H33N3O2S (C25 H33 N3 O2 S)

Compound Name

2-({cyclohexyl[(4-methylphenyl)methyl]carbamothioyl}amino)-N-[(3-methoxyphenyl)methyl]acetamide

IUPAC name

2-({cyclohexyl[(4-methylphenyl)methyl]carbamothioyl}amino)-N-[(3-methoxyphenyl)methyl]acetamide

SMILES

Cc1ccc(CN(C2CCCCC2)C(NCC(NCc2cc(OC)ccc2)=O)=S)cc1

InChI

InChI=1S/C25H33N3O2S/c1-19-11-13-20(14-12-19)18-28(22-8-4-3-5-9-22)25(31)27-17-24(29)26-16-21-7-6-10-23(15-21)30-2/h6-7,10-15,22H,3-5,8-9,16-18H2,1-2H3,(H,26,29)(H,27,31)

InChI Key

TVVPPWKSCSYLOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.23

Polar Surface Area

43.010

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K784-5783 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K784-5783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5783?
Check Price and Availability of K784-5783, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K784-5783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5783
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K784-5783 available by request